Molecule

ID:34053

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂FNO
Molecular Mass
253.2709832
Exact Mass
253.09029223
Charge
0
InChI
InChI=1S/C16H12FNO/c17-15-4-1-12(2-5-15)10-18-8-7-14-9-13(11-19)3-6-16(14)18/h1-9,11H,10H2
InChIKey
LQDRVCCWVXZXRO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)ccn2Cc1ccc(cc1)F
Isomeric Smiles
c1(ccc2c(c1)ccn2Cc1ccc(cc1)F)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8753612
LogD (pH = 7.4)
3.8753612
Log P
3.8753612
Molar Refractivity
73.4542
Polarizability
28.437979
Polar Surface Area
22.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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